[gmx-users] Non integral charges

Kavyashree M hmkvsri at gmail.com
Mon Jan 17 13:02:39 CET 2011

Dear gromacs users,

while using grompp I got a message :

" System has non-zero total charge: -9.999998e-01"

This is non integral charges. What should I add using genion?
+1 charge? Why am I getting such non integral charges?
I also checked for any breakage in the chain and found no such

Kindly suggest

With Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110117/06537470/attachment.html>

More information about the gromacs.org_gmx-users mailing list